N,N-dimethyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide

C18H22N4O3S — CID 9228437

IUPACN,N-dimethyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)N2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C18H22N4O3S/c1-20(2)26(24,25)17-5-3-4-15(14-17)18(23)22-12-10-21(11-13-22)16-6-8-19-9-7-16/h3-9,14H,10-13H2,1-2H3
InChIKeyQWIRHCBRTVAFDY-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.29
Rot. Bonds4

About N,N-dimethyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide

N,N-dimethyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 9228437) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID9228437
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN,N-dimethyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)N2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C18H22N4O3S/c1-20(2)26(24,25)17-5-3-4-15(14-17)18(23)22-12-10-21(11-13-22)16-6-8-19-9-7-16/h3-9,14H,10-13H2,1-2H3
InChIKeyQWIRHCBRTVAFDY-UHFFFAOYSA-N
XLogP1.29
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 2664335
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 26590767
(4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 9048304
N-[3-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]propane-1-sulfonamide
CID 36748465
N-methoxy-N-methyl-3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9226742
3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 55334117
N-methoxy-3-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-N-methylbenzenesulfonamide
CID 55919176
N,N-dimethyl-3-[4-(4-nitrophenyl)sulfonylpiperazine-1-carbonyl]benzenesulfonamide
CID 26867736
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 1262123
N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 51293136
N-methyl-N-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide
CID 50795474
N-ethyl-N-phenyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 31565674

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide (CID 9228437) is N,N-dimethyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide is CN(C)S(=O)(=O)c1cccc(C(=O)N2CCN(c3ccncc3)CC2)c1.
What is the InChIKey of N,N-dimethyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is QWIRHCBRTVAFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-20(2)26(24,25)17-5-3-4-15(14-17)18(23)22-12-10-21(11-13-22)16-6-8-19-9-7-16/h3-9,14H,10-13H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide?
N,N-dimethyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 374.47 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 9228437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).